3-(4-fluoranyl-2-methoxy-phenyl)-3,5-bis(oxidanyl)-2-(1-oxidanylidene-2H-isoquinolin-4-yl)-2-propan-2-yl-heptanoate

Systemtic Name: 3-(4-fluoranyl-2-methoxy-phenyl)-3,5-bis(oxidanyl)-2-(1-oxidanylidene-2H-isoquinolin-4-yl)-2-propan-2-yl-heptanoate Openeye Name: 3-(4-fluoro-2-methoxy-phenyl)-3,5-dihydroxy-2-isopropyl-2-(1-oxo-2H-isoquinolin-4-yl)heptanoate CAS Name: 3-(4-fluoro-2-methoxyphenyl)-3,5-dihydroxy-2-(1-oxo-2H-isoquinolin-4-yl)-2-propan-2-ylheptanoate IUPAC Name: 3-(4-fluoro-2-methoxyphenyl)-3,5-dihydroxy-2-(1-oxo-2H-isoquinolin-4-yl)-2-propan-2-ylheptanoate Traditional Name: 3-(4-fluoro-2-methoxy-phenyl)-3,5-dihydroxy-2-isopropyl-2-(1-keto-2H-isoquinolin-4-yl)enanthate Formula: C26H29FNO6- MolecularWeight: 470.509963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C1=C(C=C(C=C1)F)OC)(C(C2=CNC(=O)C3=CC=CC=C32)(C(C)C)C(=O)[O-])O)O

Isomeric SMILES

CCC(CC(C1=C(C=C(C=C1)F)OC)(C(C2=CNC(=O)C3=CC=CC=C32)(C(C)C)C(=O)[O-])O)O

InChI

InChI=1S/C26H30FNO6/c1-5-17(29)13-25(33,20-11-10-16(27)12-22(20)34-4)26(15(2)3,24(31)32)21-14-28-23(30)19-9-7-6-8-18(19)21/h6-12,14-15,17,29,33H,5,13H2,1-4H3,(H,28,30)(H,31,32)/p-1